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Artificial intelligence is increasingly catalyzing scientific automation, with multimodal large language model (MLLM) agents evolving from lab assistants into self-driving lab operators. This transition imposes stringent safety requirements…

Artificial Intelligence · Computer Science 2026-03-13 Qianpu Sun , Xiaowei Chi , Yuhan Rui , Ying Li , Kuangzhi Ge , Jiajun Li , Sirui Han , Shanghang Zhang

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

Large language models (LLMs) are revolutionizing self driving laboratories (SDLs) for materials research, promising unprecedented acceleration of scientific discovery. However, current SDL implementations rely on rigid protocols that fail…

The discovery of new structural and functional materials is driven by phase identification, often using X-ray diffraction (XRD). Automation has accelerated the rate of XRD measurements, greatly outpacing XRD analysis techniques that remain…

Functional materials that enable many technological applications in our everyday lives owe their unique properties to defects that are carefully engineered and incorporated into these materials during processing. However, optimizing and…

Materials Science · Physics 2023-03-23 Sokseiha Muy , Conrad Johnston , Nicola Marzari

Predictive simulations and experimental design involving extreme aero-chemo-thermo-mechanical regimes require high-fidelity material representation across diverse physical states. However, data for metals, polymers, and propellants,…

The current bulk materials discovery cycle has several inefficiencies from initial computational predictions through fabrication and analyses. Materials are generally evaluated in a singular fashion, relying largely on human-driven…

Materials Science · Physics 2021-02-12 Olivia F. Dippo , Kevin R. Kaufmann , Kenneth S. Vecchio

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations.…

Instrumentation and Detectors · Physics 2025-09-03 Aikaterini Vriza , Michael H. Prince , Tao Zhou , Henry Chan , Mathew J. Cherukara

Scanning transmission electron microscopy (STEM) has become a cornerstone instrument for semiconductor materials metrology, enabling nanoscale analysis of complex multilayer structures that define device performance. Developing effective…

We present an advanced scanning probe microscopy system enhanced with artificial intelligence (AI-SPM) designed for self-driving atomic-scale measurements. This system expertly identifies and manipulates atomic positions with high…

Computational Physics · Physics 2024-04-18 Zhuo Diao , Keiichi Ueda , Linfeng Hou , Fengxuan Li , Hayato Yamashita , Masayuki Abe

In modern materials science, effective and high-volume data management across leading-edge experimental facilities and world-class supercomputers is indispensable for cutting-edge research. However, existing integrated systems that handle…

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

Multiagent Systems · Computer Science 2026-04-16 Geonhee Ahn , Donghyun Lee , Hayoung Doo , Jonggeol Na , Hyunsoo Cho , Sookyung Kim

Reliable artificial-intelligence models have the potential to accelerate the discovery of materials with optimal properties for various applications, including superconductivity, catalysis, and thermoelectricity. Advancements in this field…

Materials Science · Physics 2023-06-07 Thomas A. R. Purcell , Matthias Scheffler , Luca M. Ghiringhelli , Christian Carbogno

Large language models (LLMs) and large multimodal models (LMMs) promise to accelerate biomedical discovery, yet their reliability remains unclear. We introduce ARIEL (AI Research Assistant for Expert-in-the-Loop Learning), an open-source…

Advanced manufacturing with new bio-derived materials can be achieved faster and more economically with first-principle-based artificial intelligence and machine learning (AI/ML)-derived models and process optimization. Not only is this…

Soft Condensed Matter · Physics 2026-02-20 Rigoberto Advincula , Jihua Chen

Scientific experimentation and manufacturing rely on prolonged protocol development and complex, multi-step implementation, which require continuous human expertise for precise execution and decision-making, limiting interpretability and…

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High-Throughput materials discovery involves the rapid synthesis, measurement, and characterization of many different but structurally-related materials. A key problem in materials discovery, the phase map identification problem, involves…

The Art and Science Interaction Lab (ASIL) is a unique, highly flexible and modular interaction science research facility to effectively bring, analyse and test experiences and interactions in mixed virtual/augmented contexts as well as to…

Human-Computer Interaction · Computer Science 2021-01-29 Niels Van Kets , Bart Moens , Klaas Bombeke , Wouter Durnez , Pieter-Jan Maes , Glenn Van Wallendael , Lieven De Marez , Marc Leman , Peter Lambert

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…

Materials Science · Physics 2026-01-06 Dilshod Nematov , Mirabbos Hojamberdiev
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